Vitas-M small molecule compound

2-({[5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-1H-imidazol-2-yl]amino}methyl)phenol

Catalog ID
STK147653
SMILES COCCn1c(ncc1c1ccc2c(c1)OCO2)NCc1ccccc1O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H21N3O4 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4/c1-25-9-8-23-16(14-6-7-18-19(10-14)27-13-26-18)12-22-20(23)21-11-15-4-2-3-5-17(15)24/h2-7,10,12,24H,8-9,11,13H2,1H3,(H,21,22)
InChIKey
MCSQQZUQQTXVHZ-UHFFFAOYSA-N
Synonyms

2(((5(13BENZODIOXOL5YL)1(2METHOXYETHYL)1HIMIDAZOL2YL)AMINO)METHYL)PHENOL
2(((5(13BENZODIOXOL5YL)1(2METHOXYETHYL)IMIDAZOL2YL)AMINO)METHYL)PHENOL
COCCN1C(=CN=C1NCC2=CC=CC=C2O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H21N3O4c125982316(14671819(1014)27132618)122220(23)211115423517(15)24h27101224H891113H21H3(H2122)
MFCD08674580
ZINC000004679090
ZINC04679090
ZINC4679090

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.